potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide

C6H13BF3KS — CID 107761096

IUPACpotassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide
SMILESCC(C)C(C)SC[B-](F)(F)F.[K+]
InChIInChI=1S/C6H13BF3S.K/c1-5(2)6(3)11-4-7(8,9)10;/h5-6H,4H2,1-3H3;/q-1;+1
InChIKeyNUCZEYGRXSAZOB-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.15
Rot. Bonds4

About potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide

potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide (PubChem CID 107761096) has the molecular formula C6H13BF3KS and a molecular weight of 224.14 g/mol. Its IUPAC name is potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide
PubChem CID107761096
Molecular FormulaC6H13BF3KS
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Namepotassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide
SMILESCC(C)C(C)SC[B-](F)(F)F.[K+]
InChIInChI=1S/C6H13BF3S.K/c1-5(2)6(3)11-4-7(8,9)10;/h5-6H,4H2,1-3H3;/q-1;+1
InChIKeyNUCZEYGRXSAZOB-UHFFFAOYSA-N
XLogP0.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trifluoro(2-methylpropylsulfanylmethyl)boranuide
CID 63704974
Trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide
CID 107761097
Trifluoro(2-methylbutylsulfanylmethyl)boranuide
CID 107761099
Trifluoro(3-methylbutylsulfanylmethyl)boranuide
CID 107761101
CID 174039555
CID 174039555
Potassium butylsulfanylmethyl(trifluoro)boranuide
CID 63701833
Potassium trifluoro(propylsulfanylmethyl)boranuide
CID 63704708
Potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide
CID 63704710
Potassium trifluoro(2-methylpropylsulfanylmethyl)boranuide
CID 63704973
Potassium trifluoro(pentylsulfanylmethyl)boranuide
CID 107761094
Potassium trifluoro(2-methylbutylsulfanylmethyl)boranuide
CID 107761098
Potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide
CID 107761100

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide?
The IUPAC name of potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide (CID 107761096) is potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide.
What is the SMILES notation for potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide?
The canonical SMILES for potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide is CC(C)C(C)SC[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide?
The InChIKey is NUCZEYGRXSAZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BF3S.K/c1-5(2)6(3)11-4-7(8,9)10;/h5-6H,4H2,1-3H3;/q-1;+1.
What are the key properties of potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide?
potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide has a molecular weight of 224.14 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide is sourced from PubChem (CID 107761096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).